CID 2795456

184698-65-5

Structural Information

Molecular Formula

C₁₁H₁₀BrN

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C11H10BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2

InChIKey

ADVNJHFDDUGRHL-UHFFFAOYSA-N

Compound name

1-[4-(bromomethyl)phenyl]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 234.99966 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.00694	144.5
[M+Na]+	257.98888	156.6
[M-H]-	233.99238	152.7
[M+NH4]+	253.03348	166.5
[M+K]+	273.96282	145.3
[M+H-H2O]+	217.99692	144.1
[M+HCOO]-	279.99786	167.0
[M+CH3COO]-	294.01351	160.1
[M+Na-2H]-	255.97433	151.8
[M]+	234.99911	163.0
[M]-	235.00021	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe